2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide

C22H26FN7O4 — CID 89272843

IUPAC2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide
SMILESCCOC(OCC)C(=O)Nc1cccc(CO/N=C(/c2ccc(F)c(C)c2)c2nnnn2C)n1
InChIInChI=1S/C22H26FN7O4/c1-5-32-22(33-6-2)21(31)25-18-9-7-8-16(24-18)13-34-27-19(20-26-28-29-30(20)4)15-10-11-17(23)14(3)12-15/h7-12,22H,5-6,13H2,1-4H3,(H,24,25,31)/b27-19-
InChIKeyWFEITCWIXUUEMK-DIBXZPPDSA-N
MW471.49 g/mol
LogP2.36
Rot. Bonds11

About 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide

2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide (PubChem CID 89272843) has the molecular formula C22H26FN7O4 and a molecular weight of 471.49 g/mol. Its IUPAC name is 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide
PubChem CID89272843
Molecular FormulaC22H26FN7O4
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC Name2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide
SMILESCCOC(OCC)C(=O)Nc1cccc(CO/N=C(/c2ccc(F)c(C)c2)c2nnnn2C)n1
InChIInChI=1S/C22H26FN7O4/c1-5-32-22(33-6-2)21(31)25-18-9-7-8-16(24-18)13-34-27-19(20-26-28-29-30(20)4)15-10-11-17(23)14(3)12-15/h7-12,22H,5-6,13H2,1-4H3,(H,24,25,31)/b27-19-
InChIKeyWFEITCWIXUUEMK-DIBXZPPDSA-N
XLogP2.36
TPSA125.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
The IUPAC name of 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide (CID 89272843) is 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide is CCOC(OCC)C(=O)Nc1cccc(CO/N=C(/c2ccc(F)c(C)c2)c2nnnn2C)n1.
What is the InChIKey of 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
The InChIKey is WFEITCWIXUUEMK-DIBXZPPDSA-N. The full InChI is InChI=1S/C22H26FN7O4/c1-5-32-22(33-6-2)21(31)25-18-9-7-8-16(24-18)13-34-27-19(20-26-28-29-30(20)4)15-10-11-17(23)14(3)12-15/h7-12,22H,5-6,13H2,1-4H3,(H,24,25,31)/b27-19-.
What are the key properties of 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide has a molecular weight of 471.49 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 89272843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).